isoquinolin-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: 5-isoquinolylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: 5-isoquinolinylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: 5-isoquinolylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C26H35N3O+2 MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=C(C=C2)OC)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H33N3O/c1-28-15-11-22(12-16-28)19-29(17-13-21-6-8-25(30-2)9-7-21)20-24-5-3-4-23-18-27-14-10-26(23)24/h3-10,14,18,22H,11-13,15-17,19-20H2,1-2H3/p+2